N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C16H30N2OS — CID 114364575

IUPACN-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(C(CC)OCC)sc1CNC(C)(C)C
InChIInChI=1S/C16H30N2OS/c1-7-10-12-14(11-17-16(4,5)6)20-15(18-12)13(8-2)19-9-3/h13,17H,7-11H2,1-6H3
InChIKeyPJUAPMWFNHROGA-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.47
Rot. Bonds8

About N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114364575) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114364575
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(C(CC)OCC)sc1CNC(C)(C)C
InChIInChI=1S/C16H30N2OS/c1-7-10-12-14(11-17-16(4,5)6)20-15(18-12)13(8-2)19-9-3/h13,17H,7-11H2,1-6H3
InChIKeyPJUAPMWFNHROGA-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363929
N-[[2-(1-ethoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730586
N-[[2-(1-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364548
N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363891
5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 114364576
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364603
N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730576
N-[[2-(2-methoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364619
1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362320
N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364038
N-[[2-(1-ethoxypropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366630
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114364575) is N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCCc1nc(C(CC)OCC)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PJUAPMWFNHROGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-7-10-12-14(11-17-16(4,5)6)20-15(18-12)13(8-2)19-9-3/h13,17H,7-11H2,1-6H3.
What are the key properties of N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114364575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).